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返回ChemicalBook首页>CAS数据库列表>66138-05-4更多图谱> 2,3-二苯基-5-乙基氯化四氮唑(66138-05-4)质谱(MS)

66138-05-4

2,3-二苯基-5-乙基氯化四氮唑(66138-05-4)质谱(MS)

分子式:C15H15ClN4

分子量: 286.76

InChI:InChI=1S/C15H15N4.ClH/c1-2-15-16-18(13-9-5-3-6-10-13)19(17-15)14-11-7-4-8-12-14;/h3-12H,2H2,1H3;1H/q+1;/p-1

InChIKey: WDLRRKFNUOOGIW-UHFFFAOYSA-M

Smiles:N1(N=C(CC)N=[N+]1C1C=CC=CC=1)C1=CC=CC=C1.[Cl-]

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    Mass

    MS-NW-8213          
    5-ethyl-2,3-diphenyl-2H-tetrazolium chloride
    C15H15ClN4          (Mass of molecular ion:    286)
    

       Source Temperature: 220 °C
       Sample Temperature: 260 °C
       Direct, 75 eV
    

          14.0       1.0
          15.0       1.9
          18.0       2.8
          26.0       3.2
          27.0       8.9
          28.0      27.1
          29.0       3.1
          35.0       6.2
          36.0      41.9
          37.0       3.7
          38.0      17.2
          39.0      18.0
          40.0       3.4
          41.0       6.8
          50.0       7.0
          51.0      18.6
          52.0       9.6
          53.0       1.5
          54.0       3.3
          56.0       1.3
          62.0       2.5
          63.0      13.0
          64.0      27.2
          65.0      17.6
          66.0       3.9
          74.0       1.9
          75.0       2.0
          76.0       3.2
          77.0      22.6
          78.0      18.2
          79.0       1.4
          89.0       2.2
          90.0       3.3
          91.0     100.0
          92.0      24.2
          93.0       8.3
         102.0       1.7
         103.0       2.3
         104.0       4.1
         105.0       1.3
         115.0       5.7
         116.0       2.6
         117.0       7.3
         118.0       7.0
         119.0       2.3
         131.0      23.9
         132.0       3.2
         139.0       1.4
         140.0       1.2
         144.0       1.2
         145.0       9.4
         146.0      30.2
         147.0       5.1
         152.0       2.0
         153.0       1.8
         154.0       2.7
         165.0       1.0
         166.0       2.1
         167.0       7.0
         168.0       2.7
         169.0       3.3
         180.0       1.3
         207.0       1.9
         222.0       3.3
         243.0       1.2
         245.0       1.7
         298.0       1.1
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C15 H15 Cl N4 0.040 g : 0.5 ml CDCl3
    5-ethyl-2,3-diphenyl-2H-tetrazolium chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.191 B 7.550 C 7.417 D 3.160 E 1.479

         Hz     ppm     Int.
    

       3280.76   8.210     59
       3278.56   8.204    436
       3277.59   8.202    479
       3271.97   8.188    130
       3270.14   8.183    523
       3268.80   8.180    411
       3027.22   7.575     75
       3026.12   7.572    135
       3025.02   7.570     86
       3020.26   7.558    100
       3018.55   7.553    310
       3016.97   7.550    117
       3012.21   7.538    132
       3010.99   7.535    217
       3009.89   7.532    123
       2973.63   7.441     73
       2971.80   7.437    398
       2970.09   7.432    158
       2963.38   7.415    529
       2962.28   7.413    254
       2957.64   7.401    122
       2955.81   7.396    289
       2953.98   7.392     59
       1274.78   3.190    117
       1267.21   3.171    378
       1259.52   3.152    386
       1251.95   3.133    130
        598.63   1.498    454
        591.06   1.479   1000
        583.50   1.461    439
    

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    1H NMR 89.56 MHz
    C15 H15 Cl N4 0.038 g : 0.5 ml CDCl3
    5-ethyl-2,3-diphenyl-2H-tetrazolium chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.13 B 7.53 C 7.48 D 3.22 E 1.53

         Hz     ppm     Int.
    

        734.00   8.196    336
        732.50   8.179    409
        730.19   8.154    166
        728.31   8.133    134
        726.13   8.108    379
        724.19   8.087    485
        722.81   8.071    152
        680.44   7.598    127
        679.19   7.584    178
        676.63   7.556    106
        675.19   7.539    239
        673.31   7.518    730
        671.25   7.495    404
        669.63   7.477    109
        669.00   7.470    179
        668.00   7.459    121
        667.00   7.448    180
        665.44   7.431    402
        663.75   7.412    122
        662.13   7.394     80
        661.75   7.389     77
        661.25   7.384     95
        659.50   7.364    135
        658.13   7.349     83
        656.38   7.329     99
        654.81   7.312     68
        654.38   7.307     74
        299.69   3.347     88
        292.13   3.262    317
        284.50   3.177    348
        276.88   3.092    109
        144.19   1.610    379
        136.81   1.528   1000
        129.06   1.442    306
    

in D2O

in CDCl3

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KBr disc

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